SCHEMBL4564115

SCHEMBL4564115

COc1cc(OC)c2c(=O)[nH]c(-c3ccc(OCCNS(=O)(=O)c4ccc(Cl)cc4)c(C)c3C)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.47
PARP1 P09874 2/20 0.43
HDAC1 Q13547 8/20 0.43
HDAC3 O15379 7/20 0.43
HDAC4 P56524 7/20 0.43
HDAC7 Q8WUI4 7/20 0.43
HDAC2 Q92769 7/20 0.43
HDAC10 Q969S8 7/20 0.43
HDAC11 Q96DB2 7/20 0.43
HDAC8 Q9BY41 7/20 0.43
HDAC6 Q9UBN7 7/20 0.43
HDAC9 Q9UKV0 7/20 0.43
HDAC5 Q9UQL6 7/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4553960 0.92 BRD4 (0.48) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL349173 0.86 BRD4 (0.59) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL30053095 0.86 BRD4 (0.59) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL15551932 0.84 BRD4 (0.54) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL348339 0.80 BRD4 (0.62) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL15526201 0.80 BRD4 (0.56) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL349287 0.80 BRD4 (0.61) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL348814 0.78 BRD4 (0.63) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL15419416 0.77 BRD4 (0.56) BRD4PARP1HDAC1HDAC3HDAC4
SCHEMBL15526229 0.76 BRD4 (0.50) BRD4PARP1HDAC1HDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118074-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-11-18 EP claimed
WO-2008092231-A1 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2008-08-07 WO claimed